UCSF

ZINC19853505

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 23 No

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.25 9.81 -45.51 1 5 1 53 318.441 4
Mid Mid (pH 6-8) 3.25 9.88 -48.78 1 5 1 53 318.441 4
Mid Mid (pH 6-8) 3.25 7.55 -6.84 0 5 0 52 317.433 4

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )